(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid

C19H32O3 — CID 143310807

IUPAC(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid
SMILESCCCC/C=C/[C@@H]1[C@@H](C/C=C\CCCCC(=O)O)CC[C@H]1O
InChIInChI=1S/C19H32O3/c1-2-3-4-9-12-17-16(14-15-18(17)20)11-8-6-5-7-10-13-19(21)22/h6,8-9,12,16-18,20H,2-5,7,10-11,13-15H2,1H3,(H,21,22)/b8-6-,12-9+/t16-,17+,18+/m0/s1
InChIKeyQBGPVSFXCFKWKG-PNSRHVSSSA-N
MW308.46 g/mol
LogP4.71
Rot. Bonds11

About (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid

(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid (PubChem CID 143310807) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid.

Molecular Properties

Compound Name(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid
PubChem CID143310807
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid
SMILESCCCC/C=C/[C@@H]1[C@@H](C/C=C\CCCCC(=O)O)CC[C@H]1O
InChIInChI=1S/C19H32O3/c1-2-3-4-9-12-17-16(14-15-18(17)20)11-8-6-5-7-10-13-19(21)22/h6,8-9,12,16-18,20H,2-5,7,10-11,13-15H2,1H3,(H,21,22)/b8-6-,12-9+/t16-,17+,18+/m0/s1
InChIKeyQBGPVSFXCFKWKG-PNSRHVSSSA-N
XLogP4.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-non-1-enylcyclopentyl]hept-5-enoic acid
CID 54269454
(Z)-7-[(3R,6S)-6-hydroxy-2-[(E)-oct-1-enyl]oxan-3-yl]hept-5-enoic acid
CID 174032676
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
(E)-nonadec-14-enoic acid
CID 101410255
(E)-tetradec-9-enoic acid
CID 5312402
(E)-hexadec-11-enoic acid
CID 5312413
(E)-tricos-18-enoic acid
CID 20847589
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
tetracosa-16,19-dienoic acid
CID 169277269
(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
CID 127257850
(10E,13E)-octadeca-10,13-dienoic acid
CID 22457197
lanthanum;tris((Z)-tetradec-9-enoic acid)
CID 155704268

Frequently Asked Questions

What is the IUPAC name of (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid?
The IUPAC name of (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid (CID 143310807) is (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid.
What is the SMILES notation for (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid?
The canonical SMILES for (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid is CCCC/C=C/[C@@H]1[C@@H](C/C=C\CCCCC(=O)O)CC[C@H]1O.
What is the InChIKey of (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid?
The InChIKey is QBGPVSFXCFKWKG-PNSRHVSSSA-N. The full InChI is InChI=1S/C19H32O3/c1-2-3-4-9-12-17-16(14-15-18(17)20)11-8-6-5-7-10-13-19(21)22/h6,8-9,12,16-18,20H,2-5,7,10-11,13-15H2,1H3,(H,21,22)/b8-6-,12-9+/t16-,17+,18+/m0/s1.
What are the key properties of (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid?
(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid has a molecular weight of 308.46 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid is sourced from PubChem (CID 143310807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).